SCHEMBL19003055

SCHEMBL19003055

Fc1ccc2cc(C3CCNCC3)cnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.46
HTR1A P08908 4/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 3/20 0.41
CCR3 P51677 1/20 0.41
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
PSMB5 P28074 1/20 0.41
HTR2C P28335 2/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HTR6 P50406 1/20 0.39
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
JAK2 O60674 1/20 0.38
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK12 P53778 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25334294 0.82 PSMB5 (0.41) PDGFRBPDGFRAPSMB5HTR2CSLC18A3
SCHEMBL2207389 0.80 SLC18A3 (0.50) SLC6A4PDGFRBPDGFRAPSMB5HTR2C
Bromide SCHEMBL9325723 0.79 SLC18A3 (0.49) SLC6A4PDGFRBPDGFRAPSMB5HTR2C
SCHEMBL6311570 0.78 QDPR (0.51) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL18318511 0.75 DYRK1A (0.48) PDGFRBPDGFRA
SCHEMBL24837865 0.71 SLC18A3 (0.48) HTR1ASLC6A2SLC6A4HTR2CMKNK1
SCHEMBL16272073 0.71 HTR2C (0.46) HTR2CMKNK1MKNK2SLC18A3SIGMAR1
SCHEMBL21061439 0.70 PSMB5 (0.46) SLC6A4PDGFRBPDGFRAPSMB5
SCHEMBL2450688 0.70 HTR6 (0.45) HTR1AHTR2CHTR6TNKSTNKS2
SCHEMBL26570916 0.70 PDGFRB (0.49) PDGFRBPDGFRAJAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10166226-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-01-01 US disclosed
CN-108430991-A CGRP receptor antagonist 赫普塔瑞斯医疗有限公司 2018-08-21 CN disclosed
US-20180153876-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2018-06-07 US disclosed
US-9925178-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-03-27 US disclosed
US-20170239236-A1 CGRP Receptor Antagonists NXERA PHARMA UK LIMITED (GB) 2017-08-24 US disclosed
US-9688660-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-06-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180153876-A1 CGRP Receptor Antagonists CALCRL, CNR1, GALR1 MPO 2360/4885HTR1A 31/4885SLC6A2 624/4885
US-20170239236-A1 CGRP Receptor Antagonists CALCRL, CNR1, GALR1 MPO 2360/4885HTR1A 31/4885SLC6A2 624/4885
US-10166226-B2 CGRP receptor antagonists CALCRL, CNR1, GALR1 MPO 2360/4885HTR1A 31/4885SLC6A2 624/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.